(4,4-difluorothiolan-3-yl)methanamine

C5H9F2NS — CID 83853750

IUPAC(4,4-difluorothiolan-3-yl)methanamine
SMILESNCC1CSCC1(F)F
InChIInChI=1S/C5H9F2NS/c6-5(7)3-9-2-4(5)1-8/h4H,1-3,8H2
InChIKeyLVQDDUIRFBPMIJ-UHFFFAOYSA-N
MW153.20 g/mol
LogP0.94
Rot. Bonds1

About (4,4-difluorothiolan-3-yl)methanamine

(4,4-difluorothiolan-3-yl)methanamine (PubChem CID 83853750) has the molecular formula C5H9F2NS and a molecular weight of 153.20 g/mol. Its IUPAC name is (4,4-difluorothiolan-3-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluorothiolan-3-yl)methanamine
PubChem CID83853750
Molecular FormulaC5H9F2NS
Molecular Weight153.20 g/mol
Exact Mass153.04
IUPAC Name(4,4-difluorothiolan-3-yl)methanamine
SMILESNCC1CSCC1(F)F
InChIInChI=1S/C5H9F2NS/c6-5(7)3-9-2-4(5)1-8/h4H,1-3,8H2
InChIKeyLVQDDUIRFBPMIJ-UHFFFAOYSA-N
XLogP0.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorothiolan-3-yl)methanamine?
The IUPAC name of (4,4-difluorothiolan-3-yl)methanamine (CID 83853750) is (4,4-difluorothiolan-3-yl)methanamine.
What is the SMILES notation for (4,4-difluorothiolan-3-yl)methanamine?
The canonical SMILES for (4,4-difluorothiolan-3-yl)methanamine is NCC1CSCC1(F)F.
What is the InChIKey of (4,4-difluorothiolan-3-yl)methanamine?
The InChIKey is LVQDDUIRFBPMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NS/c6-5(7)3-9-2-4(5)1-8/h4H,1-3,8H2.
What are the key properties of (4,4-difluorothiolan-3-yl)methanamine?
(4,4-difluorothiolan-3-yl)methanamine has a molecular weight of 153.20 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorothiolan-3-yl)methanamine is sourced from PubChem (CID 83853750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).